2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene

C178H125NO3 — CID 160753270

IUPAC2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene
SMILESCC1(C)c2cc(-c3cc(Oc4ccccc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc(Oc4ccccc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(Oc4ccccc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21
InChIInChI=1S/C53H36O.C49H34O.C43H30O.C33H25N/c1-53(2)49-31-38(37-18-15-33-9-6-7-10-36(33)25-37)21-23-47(49)48-24-22-39(32-50(48)53)43-28-44(30-46(29-43)54-45-13-4-3-5-14-45)42-26-40-19-16-34-11-8-12-35-17-20-41(27-42)52(40)51(34)35;1-49(2)45-29-34(31-10-5-3-6-11-31)20-22-43(45)44-23-21-35(30-46(44)49)39-26-40(28-42(27-39)50-41-14-7-4-8-15-41)38-24-36-18-16-32-12-9-13-33-17-19-37(25-38)48(36)47(32)33;1-43(2)39-14-7-6-13-37(39)38-20-19-29(26-40(38)43)33-23-34(25-36(24-33)44-35-11-4-3-5-12-35)32-21-30-17-15-27-9-8-10-28-16-18-31(22-32)42(30)41(27)28;1-33(2)29-12-6-3-9-25(29)26-20-17-23(21-30(26)33)22-15-18-24(19-16-22)34-31-13-7-4-10-27(31)28-11-5-8-14-32(28)34/h3-32H,1-2H3;3-30H,1-2H3;3-26H,1-2H3;3-21H,1-2H3
InChIKeyRXCGLPBMMSHMFB-UHFFFAOYSA-N
MW2325.96 g/mol
LogP49.29
Rot. Bonds16

About 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene

2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene (PubChem CID 160753270) has the molecular formula C178H125NO3 and a molecular weight of 2325.96 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene.

Molecular Properties

Compound Name2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene
PubChem CID160753270
Molecular FormulaC178H125NO3
Molecular Weight2325.96 g/mol
Exact Mass2323.97
IUPAC Name2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene
SMILESCC1(C)c2cc(-c3cc(Oc4ccccc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc(Oc4ccccc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(Oc4ccccc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21
InChIInChI=1S/C53H36O.C49H34O.C43H30O.C33H25N/c1-53(2)49-31-38(37-18-15-33-9-6-7-10-36(33)25-37)21-23-47(49)48-24-22-39(32-50(48)53)43-28-44(30-46(29-43)54-45-13-4-3-5-14-45)42-26-40-19-16-34-11-8-12-35-17-20-41(27-42)52(40)51(34)35;1-49(2)45-29-34(31-10-5-3-6-11-31)20-22-43(45)44-23-21-35(30-46(44)49)39-26-40(28-42(27-39)50-41-14-7-4-8-15-41)38-24-36-18-16-32-12-9-13-33-17-19-37(25-38)48(36)47(32)33;1-43(2)39-14-7-6-13-37(39)38-20-19-29(26-40(38)43)33-23-34(25-36(24-33)44-35-11-4-3-5-12-35)32-21-30-17-15-27-9-8-10-28-16-18-31(22-32)42(30)41(27)28;1-33(2)29-12-6-3-9-25(29)26-20-17-23(21-30(26)33)22-15-18-24(19-16-22)34-31-13-7-4-10-27(31)28-11-5-8-14-32(28)34/h3-32H,1-2H3;3-30H,1-2H3;3-26H,1-2H3;3-21H,1-2H3
InChIKeyRXCGLPBMMSHMFB-UHFFFAOYSA-N
XLogP49.29
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms182
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002325.96
LogP ≤ 549.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene with MolForge

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Related Compounds

2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene
CID 59217059
2-[3-[9,9-dimethyl-7-(3-phenoxy-5-pyren-2-ylphenyl)fluoren-2-yl]-5-phenoxyphenyl]pyrene
CID 59217189
9-[7-(9,9-dimethylfluoren-2-yl)pyren-2-yl]carbazole
CID 90164584
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;2-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(4-phenylphenyl)carbazole;9-(4-naphthalen-1-ylphenyl)-2-[9-(4-naphthalen-1-ylphenyl)carbazol-2-yl]carbazole
CID 161262877
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
2-[4-[3-(9,9-dimethylfluoren-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]pyrene
CID 123253774
3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-naphthalen-1-ylphenyl]-9-(4-phenylphenyl)carbazole;3-[3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-5-phenylphenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158437914
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393480
15-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492385
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene?
The IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene (CID 160753270) is 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene.
What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene?
The canonical SMILES for 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene is CC1(C)c2cc(-c3cc(Oc4ccccc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c3)ccc2-c2ccc(-c3ccc4ccccc4c3)cc21.CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-c3cc(Oc4ccccc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(Oc4ccccc4)cc(-c4cc5ccc6cccc7ccc(c4)c5c67)c3)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21.
What is the InChIKey of 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene?
The InChIKey is RXCGLPBMMSHMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H36O.C49H34O.C43H30O.C33H25N/c1-53(2)49-31-38(37-18-15-33-9-6-7-10-36(33)25-37)21-23-47(49)48-24-22-39(32-50(48)53)43-28-44(30-46(29-43)54-45-13-4-3-5-14-45)42-26-40-19-16-34-11-8-12-35-17-20-41(27-42)52(40)51(34)35;1-49(2)45-29-34(31-10-5-3-6-11-31)20-22-43(45)44-23-21-35(30-46(44)49)39-26-40(28-42(27-39)50-41-14-7-4-8-15-41)38-24-36-18-16-32-12-9-13-33-17-19-37(25-38)48(36)47(32)33;1-43(2)39-14-7-6-13-37(39)38-20-19-29(26-40(38)43)33-23-34(25-36(24-33)44-35-11-4-3-5-12-35)32-21-30-17-15-27-9-8-10-28-16-18-31(22-32)42(30)41(27)28;1-33(2)29-12-6-3-9-25(29)26-20-17-23(21-30(26)33)22-15-18-24(19-16-22)34-31-13-7-4-10-27(31)28-11-5-8-14-32(28)34/h3-32H,1-2H3;3-30H,1-2H3;3-26H,1-2H3;3-21H,1-2H3.
What are the key properties of 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene?
2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene has a molecular weight of 2325.96 g/mol, XLogP of 49.29, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-dimethylfluoren-2-yl)-5-phenoxyphenyl]pyrene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]carbazole;2-[3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-5-phenoxyphenyl]pyrene;2-[3-(9,9-dimethyl-7-phenylfluoren-2-yl)-5-phenoxyphenyl]pyrene is sourced from PubChem (CID 160753270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).